DRUG: Cyclobutyrol
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Entry
D07104 Drug
Name
Cyclobutyrol (INN)
Formula
C10H18O3
Exact mass
186.1256
Mol weight
186.25
Structure
Mol file
KCF file
DB search
Remark
ATC code:
A05AX03
Efficacy
Choleretic
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:
br08303
]
A ALIMENTARY TRACT AND METABOLISM
A05 BILE AND LIVER THERAPY
A05A BILE THERAPY
A05AX Other drugs for bile therapy
A05AX03 Cyclobutyrol
D07104 Cyclobutyrol (INN)
BRITE hierarchy
Other DBs
CAS:
512-16-3
PubChem:
51091444
ChEBI:
61024
LigandBox:
D07104
NIKKAJI:
J2.058C
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KCF data
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ATOM 13
1 C1x C 17.1500 -17.8500
2 C1x C 17.1500 -19.2500
3 C1x C 18.3624 -19.9500
4 C1x C 19.5749 -19.2500
5 C1z C 19.5749 -17.8500
6 C1x C 18.3624 -17.1500
7 O1a O 20.8060 -17.1390
8 C1c C 20.8061 -18.5609
9 C1b C 22.0111 -17.8652
10 C6a C 20.8059 -19.9499
11 C1a C 23.1936 -18.5480
12 O6a O 22.0183 -20.6499
13 O6a O 19.5815 -20.6568
BOND 13
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 5 7 1
8 5 8 1
9 8 9 1
10 8 10 1
11 9 11 1
12 10 12 1
13 10 13 2
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